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dimethyl[(5-{4-[(2-methylphenyl)sulfanyl]piperidine-1-carbonyl}-1,3,4-oxadiazol-2-yl)methyl]amine

ChemBase ID: 489129
Molecular Formular: C18H24N4O2S
Molecular Mass: 360.47376
Monoisotopic Mass: 360.16199703
SMILES and InChIs

SMILES:
c1(nnc(o1)CN(C)C)C(=O)N1CCC(Sc2c(C)cccc2)CC1
Canonical SMILES:
CN(Cc1nnc(o1)C(=O)N1CCC(CC1)Sc1ccccc1C)C
InChI:
InChI=1S/C18H24N4O2S/c1-13-6-4-5-7-15(13)25-14-8-10-22(11-9-14)18(23)17-20-19-16(24-17)12-21(2)3/h4-7,14H,8-12H2,1-3H3
InChIKey:
BFFCGPXWECXPMQ-UHFFFAOYSA-N

Cite this record

CBID:489129 http://www.chembase.cn/molecule-489129.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl[(5-{4-[(2-methylphenyl)sulfanyl]piperidine-1-carbonyl}-1,3,4-oxadiazol-2-yl)methyl]amine
IUPAC Traditional name
dimethyl[(5-{4-[(2-methylphenyl)sulfanyl]piperidine-1-carbonyl}-1,3,4-oxadiazol-2-yl)methyl]amine
Synonyms
N,N-dimethyl-1-[5-({4-[(2-methylphenyl)thio]piperidin-1-yl}carbonyl)-1,3,4-oxadiazol-2-yl]methanamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.6487398  LogD (pH = 7.4) 1.3648098 
Log P 1.3887511  Molar Refractivity 102.6218 cm3
Polarizability 38.225773 Å3 Polar Surface Area 62.47 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.14  LOG S -3.66 
Polar Surface Area 62.47 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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